4-acetyl-N-ethyl-1-methyl-N-(2-methylbut-2-enyl)-2H-pyridine-6-carboxamide

C16H24N2O2 — CID 123653952

IUPAC4-acetyl-N-ethyl-1-methyl-N-(2-methylbut-2-enyl)-2H-pyridine-6-carboxamide
SMILESCC=C(C)CN(CC)C(=O)C1=CC(C(C)=O)=CCN1C
InChIInChI=1S/C16H24N2O2/c1-6-12(3)11-18(7-2)16(20)15-10-14(13(4)19)8-9-17(15)5/h6,8,10H,7,9,11H2,1-5H3
InChIKeyZYUUDYJXCWZPAN-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.15
Rot. Bonds5

About 4-acetyl-N-ethyl-1-methyl-N-(2-methylbut-2-enyl)-2H-pyridine-6-carboxamide

4-acetyl-N-ethyl-1-methyl-N-(2-methylbut-2-enyl)-2H-pyridine-6-carboxamide (PubChem CID 123653952) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 4-acetyl-N-ethyl-1-methyl-N-(2-methylbut-2-enyl)-2H-pyridine-6-carboxamide.

Molecular Properties

Compound Name4-acetyl-N-ethyl-1-methyl-N-(2-methylbut-2-enyl)-2H-pyridine-6-carboxamide
PubChem CID123653952
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name4-acetyl-N-ethyl-1-methyl-N-(2-methylbut-2-enyl)-2H-pyridine-6-carboxamide
SMILESCC=C(C)CN(CC)C(=O)C1=CC(C(C)=O)=CCN1C
InChIInChI=1S/C16H24N2O2/c1-6-12(3)11-18(7-2)16(20)15-10-14(13(4)19)8-9-17(15)5/h6,8,10H,7,9,11H2,1-5H3
InChIKeyZYUUDYJXCWZPAN-UHFFFAOYSA-N
XLogP2.15
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-ethyl-1-methyl-N-(2-methylbut-2-enyl)-2H-pyridine-6-carboxamide?
The IUPAC name of 4-acetyl-N-ethyl-1-methyl-N-(2-methylbut-2-enyl)-2H-pyridine-6-carboxamide (CID 123653952) is 4-acetyl-N-ethyl-1-methyl-N-(2-methylbut-2-enyl)-2H-pyridine-6-carboxamide.
What is the SMILES notation for 4-acetyl-N-ethyl-1-methyl-N-(2-methylbut-2-enyl)-2H-pyridine-6-carboxamide?
The canonical SMILES for 4-acetyl-N-ethyl-1-methyl-N-(2-methylbut-2-enyl)-2H-pyridine-6-carboxamide is CC=C(C)CN(CC)C(=O)C1=CC(C(C)=O)=CCN1C.
What is the InChIKey of 4-acetyl-N-ethyl-1-methyl-N-(2-methylbut-2-enyl)-2H-pyridine-6-carboxamide?
The InChIKey is ZYUUDYJXCWZPAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-6-12(3)11-18(7-2)16(20)15-10-14(13(4)19)8-9-17(15)5/h6,8,10H,7,9,11H2,1-5H3.
What are the key properties of 4-acetyl-N-ethyl-1-methyl-N-(2-methylbut-2-enyl)-2H-pyridine-6-carboxamide?
4-acetyl-N-ethyl-1-methyl-N-(2-methylbut-2-enyl)-2H-pyridine-6-carboxamide has a molecular weight of 276.38 g/mol, XLogP of 2.15, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-ethyl-1-methyl-N-(2-methylbut-2-enyl)-2H-pyridine-6-carboxamide is sourced from PubChem (CID 123653952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).